Re: [AMBER] AmberTools17 + intel17 = bug

From: David Case <david.case.rutgers.edu>
Date: Tue, 18 Apr 2017 21:19:19 -0400

On Tue, Apr 18, 2017, Hector A. Baldoni wrote:
>
> I was trying to compile the AmberTools17 whith the Intel(R) Parallel
> Studio XE Cluster Edution for Linux, Version 17.0.3.191 Build 20170404
> compiler, however in such compiler the -openmpi option is deprecated and
> replaced by qopenmp and the compiler complains with the following
> error:
>
> ================================================================
> ./configure -noX11 -qopenmp -intelmpi intel
> Error: Unknown or misplaced flag: -qopenmp
> Usage: ./configure [flags] compiler
> Type './configure -help' for more details.
> Configure failed due to the errors above!
> ================================================================
>

It is not the compiler but the configure script that is reporting this error.

I am unable to reproduce the problem (using the -openmp flag, as required by
Amber's configure script.) I used Intel version 17.0.1, but I suspect that
17.0.3 is similar.

The compiler does issue a warning that in "a future release" the -openmp
flag may be removed, but it seems fine for now.

....dac


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Received on Tue Apr 18 2017 - 18:30:02 PDT
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